In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03069AAO
Common NameLPS(O-22:1(9Z)/0:0)
Systematic Name1-(9Z-docosenyl)-sn-glycero-3-phosphoserine
Synonyms-
Exact Mass
565.3744 (neutral)    Calculate m/z:
FormulaC28H56NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassMonoalkylglycerophosphoserines [GP0306]
PubChem Compound ID (CID)-
InChIKeyWAPHGBXYVLGHDA-FYKCQGDLSA-N
InChIInChI=1S/C28H56NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35
-23-26(30)24-36-38(33,34)37-25-27(29)28(31)32/h13-14,26-27,30H,2-12,15-25,29H2,1
H3,(H,31,32)(H,33,34)/b14-13-/t26-,27+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COCCCCCCCC/C=CCCCCCCCCCCCC)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)